![2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile structure](/static/products/872/87226-87-7.png)
2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile
TL;DR: 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile (CAS 87226-87-7) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-cyanophenoxy)butoxy]benzonitrile
Also Known As: 2-[4-(2-cyanophenoxy)butoxy]benzonitrile, 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile, J1.712.552D, 2,2 -(1,4-Butanediylbisoxy)bisbenzonitrile
| Molecular Formula | C18H16N2O2 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.1212 |
| Heavy Atoms | 22 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 87226-87-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)OCCCCOC2=CC=CC=C2C#N |
| InChIKey | ZXBDRIKNFZWZPW-UHFFFAOYSA-N |
Product Overview
2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile (CAS 87226-87-7), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: 2-[4-(2-cyanophenoxy)butoxy]benzonitrile.
Chemical Property Profile of 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile
Property Insights of 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile
The XLogP value of 3.7 indicates that 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile. Following Lipinski's Rule of Five, 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile?
The CAS number of 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile is 87226-87-7.
What is the molecular formula of 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile?
The molecular formula of 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile is C18H16N2O2.
What is the molecular weight of 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile?
The molecular weight of 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile is 292.12 g/mol.
Where can I buy 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile?
You can request a quote for 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-[Butane-1,4-diylbis(oxy)]dibenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.